ChemSpider 2D Image | 1-(2-Deoxy-3-C-methyl-5-O-phosphono-beta-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione | C11H17N2O8P

1-(2-Deoxy-3-C-methyl-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H17N2O8P
  • Average mass336.235 Da
  • Monoisotopic mass336.072266 Da
  • ChemSpider ID28942720

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-(2-Deoxy-3-C-methyl-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2-Desoxy-3-C-methyl-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2-Désoxy-3-C-méthyl-5-O-phosphono-β-D-thréo-pentofuranosyl)-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-3-C-methyl-5-O-phosphono-β-D-threo-pentofuranosyl)-5-methyl- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.577
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: -1.06
ACD/LogD (pH 5.5): -5.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.46
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 69.5±3.0 dyne/cm
Molar Volume: 213.2±3.0 cm3

Click to predict properties on the Chemicalize site


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